SCHEMBL23770604

SCHEMBL23770604

Cc1ccc(OC(F)(F)F)cc1-c1nc(NSc2cccc(N)n2)ccc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.32
SCN9A Q15858 2/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
CHRM5 P08912 1/20 0.32
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23770566 0.86 AGPAT2 (0.35) SCN9AABL1
SCHEMBL23770551 0.85 PTPN1 (0.36)
SCHEMBL23770652 0.83 HSD11B1 (0.32)
SCHEMBL23770405 0.81 PTPN1 (0.31)
SCHEMBL29464546 0.80 SCN9A (0.40) SCN9AABL1CHRM5
SCHEMBL19968782 0.80 SCN9A (0.40) SCN9AABL1CHRM5
SCHEMBL23770610 0.78 BACE1 (0.38)
SCHEMBL23770752 0.78 MPL (0.34)
SCHEMBL23770399 0.76 PTPN1 (0.35)
SCHEMBL23770569 0.76 EPAS1 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed